Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIDMNTMDTFHQMDKSHQGYITEFNDKSEFEQRINTAWRRAEPEAVEELLQAAAVSDDLDHKIYDLAFNLAHNLRERKTSSGKAGIVQGLLQEFSLSSQEG-VALMCLAEALLRIPDTATRDLLIRDKINQGNWKEHVGQSSLMFVNAAAWGLMLTGKLMETPKQTSLSSVLTGLLARSGRGIIRKAVDVAMRMMGEQFVTGETIEEAVDHAKVLEDKGFRYSYDMLGEAALTDHDAERYFNDYTQAIHAIGKASNGK--------------GVYDGPGISIKLSALHPRYQRAQIERVHKELYGKVFELARLAKQYNIGLNIDAEESERLEISLELLERLCFEPELANWKGIGFVIQAYQKRCFFVVDYIIDLAKRSQKRLMIRLVKGAYWDSEIKKAQIEGMDDYPVFTRKVHTDLSYIACAKKLLAAPEFIYPQFATHNAQTLATIYHLADPSKYYAGQYEFQCLHGMGEPLYEQVVGPRQQNKLGVPCRIYAPVGNHETLLAYLVRRLLENGANTSFVNRIADKTLKVEDLIQSPIYDIRNAAKLEGSVGLKHPSIPLPLDMYG-TLRKNSKGYDLANDTPLAALDSTAQELRNR-IWQSHPLLANTDSLEQGHSVAITNPAQNDEIVGYVQEADLKHVEIALTAAEQTQSEWSNTPKDQCAQYLKRAADLMESRIQELMVLLCRESGKTYANAIAEVREAVDFLRYYATQVENLPA------------NTVIQPLGTVLCISPWNFPLAIFSGQIAAALVSGNCVIAKPAEQTPLIAAQAVQILWEAGIPHGAVQLLPGRGETVGAQLSQDSRIDGIMFTGSTEVAKILQKTVAKRLSENGQSIPLIAETGGQNAMIVDSSALTEQVVLDVVSSAFDSAGQRCSALRILCVQEDSAATVIKMLKGAMQQLIVGNPAILKTDIGPVIDDEAKQTIDQHIQKMKSKGYPVHQLMFGATSQTELDKGTFVVPTAIELPN--LDDLQREVFGPVLHIITYKYGELEQLISRINAKGYGLTMGLHTRIDETIQTVIQHAEVGNLYINRNIVGAVVGVQPFGGEGLSGTGPKAGGPLYMYRLMQHCSNKVLATPFAVKNEQTIFEGFNREVYQSLQNWAKQHLPQANREIEPFGVGKFYELQGPTGESNQYIILPRHRVLSIADTEQDQLHQLLAIFAVGSQAAVMQNSPLLAKHKQTLPKDVLDAITTIKNITTDDFDAVLHHGNRKEIFSLQQEIASRSGAIVGITHVEPNESIPLERLVIERAISVNTAAAGGNASLMTMSE 4NMD Chain:B ((43-990)) ------------------------------------------------------------------------------------------------SMQNEQFKIQMFRFVDVFPSLTTSK--------------------LLTEHIREYFGN-EQDMPAFM---------------------AVLNKVLTSNIEEMARQFIVGETTKEAVKNLEKLRKDGFAAVVDVLGEATLSEEEAEVYTNTYLELLEALKKEQGSWKGLPGKGGDPGLDWGHAPKVNIAVKPTALFCLANPQDFEGSVVAILDRMRRIFKKVMELNGFLCIDMESYRHKEIILEVFRRLKLE--YRDYPHLGIVLQAYLKDNDKDLDDLLAWAKEHKVQISVRLVKGAYWDYETVKAKQNDWE-VPVWTIKAESDAAYERQARKILENHQICHFACASHNIRTISAVMEMARELNVPEDRYEFQVLYGMAEPVRKGILKVA------GRIRLYAPYGNMVPGMGYLVRRLLENTANESFLRQSFAEDAQIERLLEDPAVTVE-------RERAARAAK----GLGGLPPFNNEAMVDFTRADHRAAFPKHIAQVRTQLGKTYPLFINGKEVRT-NDLIPTVNPNKPSEVLGQICQAGTTEVGDAIAAAKAAFPAWRDTDPRTRAEYLLKAAQAARKRLFELSAWQVLEIGKQWDQAYADVTEAIDFLEYYAREMIRLGQPQRVGHAPGELNHYFYEPKGVAAVIAPWNFPLAISMGMASAAIVTGNCVVFKPSGITSIIGWHLVELFREAGLPEGVFNFTPGRGSVMGDYLVDHPDISLIAFTGSMETGLRIIERAAKVHPGQANVKKIISEMGGKNAIIIDDDADLDEAVPHVLYSAFGFQGQKCSACSRVIVLDAVYDKFIERLVSMAKATKVGPSEDPANYMGAVADDKAMKSIKEYAEIGKREGHVLYESPV------PAGEGYFVPMTIIGGIKPEHRIAQEEIFGPVLAVMRAK--DFDQAIEWANSTQFALTGGIFSRSPEHLAKARREFRVGNLYINRNNTGALVERQPFGGARMSGVGTKAGGPDYLLHFMDPRVVTENTM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NMD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 5220 43715 8.37 48.79 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 8.37 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_4NMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NMD-query.scw PDB file : Tito_Scwrl_4NMD.pdb: